Tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
CAS No.：
Cat. No.: SC261810
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Product Name :Tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
Cat. No.: :SC261810
Purity / Specification :—
CAS No. :117565-57-8
MDL No. :MFCD08460961
Molecular Formula :C12H21NO3
LogP :1.50
Molecular Weight :227.30
TPSA :46.6
Category :Drug Discovery
HSN Code :—
SMILES Code :CCC1CN(C(=O)OC(C)(C)C)CCC1=O
Melting Point :—
InChI Key : :HGJKZGGZDSJORL-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 227.3 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i81/100
Good drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 46.6Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.